methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate

C15H27NO4 — CID 63939050

IUPACmethyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H27NO4/c1-19-15(18)8-3-2-5-11-16-14(17)10-9-13-7-4-6-12-20-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyVNVIGILWLDNTAC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.19
Rot. Bonds9

About methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate

methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate (PubChem CID 63939050) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
PubChem CID63939050
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H27NO4/c1-19-15(18)8-3-2-5-11-16-14(17)10-9-13-7-4-6-12-20-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyVNVIGILWLDNTAC-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-(4-amino-4-sulfanylidenebutyl)-3-(oxan-2-yl)propanamide
CID 63952946
oxan-2-ylmethyl 6-acetamidohexanoate
CID 134050656
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate?
The IUPAC name of methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate (CID 63939050) is methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate.
What is the SMILES notation for methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate?
The canonical SMILES for methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate is COC(=O)CCCCCNC(=O)CCC1CCCCO1.
What is the InChIKey of methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate?
The InChIKey is VNVIGILWLDNTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-19-15(18)8-3-2-5-11-16-14(17)10-9-13-7-4-6-12-20-13/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate?
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate has a molecular weight of 285.38 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate is sourced from PubChem (CID 63939050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).